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This repository was archived by the owner on Dec 12, 2024. It is now read-only.
This repository was archived by the owner on Dec 12, 2024. It is now read-only.

Relaxation moves during reaction path sampling #71

@davidkleiven

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@davidkleiven

Currently the reaction path sampler assumes that each move tries to alter the reaction coordinate. However, there can be cases where we want to perform relaxation moves without altering the reaction coordinate. These moves should not be counted.

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